N-(benzotriazol-1-ylmethyl)propanamide

C10H12N4O — CID 3767707

IUPACN-(benzotriazol-1-ylmethyl)propanamide
SMILESCCC(=O)NCn1nnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-2-10(15)11-7-14-9-6-4-3-5-8(9)12-13-14/h3-6H,2,7H2,1H3,(H,11,15)
InChIKeyUBUNOJSHGONUTB-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.92
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)propanamide

N-(benzotriazol-1-ylmethyl)propanamide (PubChem CID 3767707) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)propanamide
PubChem CID3767707
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(benzotriazol-1-ylmethyl)propanamide
SMILESCCC(=O)NCn1nnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-2-10(15)11-7-14-9-6-4-3-5-8(9)12-13-14/h3-6H,2,7H2,1H3,(H,11,15)
InChIKeyUBUNOJSHGONUTB-UHFFFAOYSA-N
XLogP0.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
CID 4312040
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
benzotriazol-1-ylmethanol;tert-butyl N-(benzotriazol-1-ylmethyl)carbamate;tert-butyl carbamate
CID 159300973
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)propanamide?
The IUPAC name of N-(benzotriazol-1-ylmethyl)propanamide (CID 3767707) is N-(benzotriazol-1-ylmethyl)propanamide.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)propanamide?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)propanamide is CCC(=O)NCn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)propanamide?
The InChIKey is UBUNOJSHGONUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-10(15)11-7-14-9-6-4-3-5-8(9)12-13-14/h3-6H,2,7H2,1H3,(H,11,15).
What are the key properties of N-(benzotriazol-1-ylmethyl)propanamide?
N-(benzotriazol-1-ylmethyl)propanamide has a molecular weight of 204.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)propanamide is sourced from PubChem (CID 3767707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).